[(8R,9S,13S,14S,16R,17R)-16-Hydroxy-13-Methyl-3-Propanoyloxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl] Propanoate
[CAS# 104202-88-2]

Identification

• Name: [(8R,9S,13S,14S,16R,17R)-16-Hydroxy-13-Methyl-3-Propanoyloxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl] Propanoate
• Synonyms: Propanoic Acid [(8R,9S,13S,14S,16R,17R)-16-Hydroxy-13-Methyl-3-(1-Oxopropoxy)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Propionic Acid [(8R,9S,13S,14S,16R,17R)-16-Hydroxy-13-Methyl-3-Propionyloxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; E3-Prop
• Molecular Formula: C₂₄H₃₂O₅
• Molecular Weight: 400.51
• CAS Registry Number: 104202-88-2
• SMILES: [C@H]34[C@H]1[C@@H](C2=C(CC1)C=C(OC(=O)CC)C=C2)CC[C@@]3([C@@H](OC(=O)CC)[C@H](O)C4)C
• InChI: 1S/C24H32O5/c1-4-21(26)28-15-7-9-16-14(12-15)6-8-18-17(16)10-11-24(3)19(18)13-20(25)23(24)29-22(27)5-2/h7,9,12,17-20,23,25H,4-6,8,10-11,13H2,1-3H3/t17-,18-,19+,20-,23+,24+/m1/s1
• InChIKey: QKLDCEYHDKPVDK-PRIYMHJNSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 517.049°C at 760 mmHg (Cal.)
• Flash point: 171.212°C (Cal.)